SCHEMBL4520358

SCHEMBL4520358

CCOc1nc(N)nc2ccc(-c3ccc(CN4CCOCC4)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.48
TLR8 Q9NR97 2/20 0.48
JAK2 O60674 3/20 0.45
DYRK1A Q13627 1/20 0.45
PARP1 P09874 1/20 0.45
MAP4K4 O95819 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
JAK1 P23458 1/20 0.42
PDE2A O00408 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACVR1 Q04771 1/20 0.40
ACP1 P24666 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4529751 0.79 MAP4K4 (0.44) MAP4K4SMN1; SMN2
SCHEMBL823714 0.79 MAPT (0.40) DYRK1AMAP4K4SMN1; SMN2
Morpholine SCHEMBL4524928 0.78 PDE5A (0.35) MAP4K4
SCHEMBL3599474 0.78 ADORA2A (0.49) MAP4K4
SCHEMBL4513221 0.78 RXFP1 (0.43) MAP4K4SMN1; SMN2
SCHEMBL4533861 0.77 PIK3CG (0.43) DYRK1AMAP4K4
SCHEMBL4122428 0.77 MPO (0.39) TLR7TLR8MAP4K4
SCHEMBL4525197 0.76 ALDH1A1 (0.52) TLR8MAP4K4SMN1; SMN2
SCHEMBL4534215 0.76 ALDH1A1 (0.47) DYRK1APARP1HRH3SMN1; SMN2
SCHEMBL4526926 0.75 ALDH1A1 (0.43) DYRK1AMAP4K4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO TLR7 851/4885TLR8 1791/4885JAK2 1569/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.